Match comparison for External energy (match type 30383)

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.378298553000000e+01 6.930000000000000e-07 -5.378298548096775e+01 2.477037113321222e-07 -5.378298572000000e+01 4.400000008786265e-07 PASS

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Detailed information

Reference: -53.782985530000005, precision: 0.000000693
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -5.378298529000000e+01 2.400000056468343e-07 3.463203544687364e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -5.378298529000000e+01 2.400000056468343e-07 3.463203544687364e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -5.378298566000000e+01 -1.299999965453935e-07 -1.875901826051855e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -5.378298564000000e+01 -1.099999948905861e-07 -1.587301513572671e-01 PASS
foss-serial-min: [foss2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-min: [foss2023b-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-full: [foss2023b-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-min: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
intel-serial: [intel2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-opt-full: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-full: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-debug: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-ppc: [foss2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
intel-omp: [intel2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -5.378298568000000e+01 -1.499999982002009e-07 -2.164502138531038e-01 PASS
intel-omp: [intel2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -5.378298568000000e+01 -1.499999982002009e-07 -2.164502138531038e-01 PASS
foss-omp-full: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-mpi-full: [foss2023a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -5.378298568000000e+01 -1.499999982002009e-07 -2.164502138531038e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -5.378298564000000e+01 -1.099999948905861e-07 -1.587301513572671e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -5.378298564000000e+01 -1.099999948905861e-07 -1.587301513572671e-01 PASS
foss-mpi-min: [foss2022a-mpi] -5.378298564000000e+01 -1.099999948905861e-07 -1.587301513572671e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -5.378298566000000e+01 -1.299999965453935e-07 -1.875901826051855e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-mpi-min: [foss2023a-mpi] -5.378298564000000e+01 -1.099999948905861e-07 -1.587301513572671e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -5.378298611000000e+01 -5.799999982514237e-07 -8.369408344176388e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -5.378298616000000e+01 -6.299999952830149e-07 -9.090909022842928e-01 PASS